Cover Feature: Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene (ChemPhysChem 16/2024)

The Cover Feature shows how the disordered nature of tetradecane allows distyrylbenzene to explore a larger conformational space (left), whereas the supramolecular structure of the PHTP matrix constrains the dye flexibility (right). This difference is reflected in the different shapes of the emission and especially of the absorption spectra (bottom of the two panels), an effect, modulated by temperature, that is nicely captured by Ad-MD|gVH, our recently introduced quantum/classical approach. More information can be found in the Research Article by F. Santoro, G. Prampolini and co-workers (DOI: 10.1002/cphc.202400307).